AFLOW Prototype: AB6C2D_tI20_87_a_eh_d_b
Prototype | : | NiO6Sr2W |
AFLOW prototype label | : | AB6C2D_tI20_87_a_eh_d_b |
Strukturbericht designation | : | None |
Pearson symbol | : | tI20 |
Space group number | : | 87 |
Space group symbol | : | $I4/m$ |
AFLOW prototype command | : | aflow --proto=AB6C2D_tI20_87_a_eh_d_b --params=$a$,$c/a$,$z_{4}$,$x_{5}$,$y_{5}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{Ni} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{W} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Sr} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Sr} \\ \mathbf{B}_{5} & = & z_{4} \, \mathbf{a}_{1} + z_{4} \, \mathbf{a}_{2} & = & z_{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{O I} \\ \mathbf{B}_{6} & = & -z_{4} \, \mathbf{a}_{1}-z_{4} \, \mathbf{a}_{2} & = & -z_{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{O I} \\ \mathbf{B}_{7} & = & y_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{8} & = & -y_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{9} & = & x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{10} & = & -x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \end{array} \]